Geometry & MOs

Info

ID:	37147
PubChem CID:	8017495
Reduced:	ClSN3O5H12C13 (1)
Stoich.:	ABC3D5E12F13 (1)
Weight, g/mol:	376.15537
ΔH_f, kcal/mol:	-180.3
Dipole, Da:	1.96
IP(EA), eV:	-10.13(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 6-chloropyridine-3-carboxylate

Drug info:

PubChemData

Smile

C1C(=O)N(C(=O)S1)CCNC(=O)COC(=O)C2=CN=C(C=C2)Cl

DOS

IR

Vibrations